Mol:FL2FADGS0004
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 51 56 0 0 0 0 0 0 0 0999 V2000 0.0169 -1.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7321 -1.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4474 -1.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4474 -0.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7321 -0.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0169 -0.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1625 -1.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8777 -1.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8777 -0.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1625 -0.1590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1625 -2.5300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7321 -2.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6788 -0.1703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6736 -0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 -0.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1257 -0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1257 0.6775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 1.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6736 0.6775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8200 1.0783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1174 -0.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6449 -0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9645 -0.6683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3081 -0.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7850 -0.1841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4801 -0.4336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7095 -0.4202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3666 -0.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4233 -1.1645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1231 -1.9126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7007 -2.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8052 -2.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4264 -1.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2760 -1.4645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7311 -1.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6993 -3.0110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8052 -2.9347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2758 -1.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8326 -2.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9896 -2.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5572 -1.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4272 -1.5555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8312 -3.0798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9977 -3.1287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5785 -1.3198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8239 -2.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8200 -1.7576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 1.8850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9816 3.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0134 0.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1370 1.1235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 4 1 0 0 0 0 7 11 2 0 0 0 0 2 12 1 0 0 0 0 6 13 1 0 0 0 0 9 14 1 6 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 17 20 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 13 1 0 0 0 0 30 31 1 1 0 0 0 31 32 1 1 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 30 1 0 0 0 0 31 35 1 0 0 0 0 31 36 1 0 0 0 0 32 37 1 0 0 0 0 38 39 1 1 0 0 0 39 40 1 1 0 0 0 41 40 1 1 0 0 0 41 42 1 0 0 0 0 42 38 1 0 0 0 0 39 43 1 0 0 0 0 40 44 1 0 0 0 0 41 45 1 0 0 0 0 45 35 1 0 0 0 0 33 29 1 0 0 0 0 46 47 1 0 0 0 0 39 46 1 0 0 0 0 48 49 1 0 0 0 0 18 48 1 0 0 0 0 50 51 1 0 0 0 0 26 50 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 46 47 M SBL 1 1 52 M SMT 1 CH2OH M SBV 1 52 -0.0088 -0.4220 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 48 49 M SBL 2 1 54 M SMT 2 OCH3 M SBV 2 54 0.0000 -0.7883 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 50 51 M SBL 3 1 56 M SMT 3 ^ CH2OH M SBV 3 56 0.5333 -0.5000 S SKP 5 ID FL2FADGS0004 FORMULA C32H40O19 EXACTMASS 728.216379098 AVERAGEMASS 728.6486 SMILES C(O)C(C(O)1)OC(Oc(c6)cc(c(c56)C(CC(O5)c(c4)cc(c(c4)O)OC)=O)O)C(OC(O2)C(O)C(COC(C(O)3)OCC(O)3CO)(C2)O)C1O M END
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